Lignin

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  • Identifiers

    CAS number
    9005-53-2

    Molecular formula
    C18H13N3Na2O8S2

    SMILES
    CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.81%
    Cooked 24.58%
    Savory 23.24%
    Bitter 19.79%
    Grape 19.52%
    Meaty 17.16%
    Roasted 16.82%
    Fruity 16.57%
    Burnt 16.4%
    Milky 14.66%

     

    Flavor
    Bitter 85.87%
    Odorless 38.67%
    Bland 22.3%
    Nitrile 20.55%
    Mild 19.22%
    Taco 19.0%
    Bread crust 18.89%
    Roasted peanuts 18.79%
    Very strong 18.38%
    Sweet-like 18.13%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    2.93 (strong acid)

    Molecular weight
    509.4 g/mol

    Flash point

    • 325.72 ˚C est.

  • Synonyms

    • LIGNIN
    • 9005-53-2
    • Lignins
    • DTXSID8093811
    • RefChem:153408
    • CHEBI:6457
    • disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate
    • 232-682-2
    • 94113-57-2
    • Disodium 4-(acetylamino)-5-hydroxy-6-(phenylazo)naphthalene-1,7-disulphonate
    • EINECS 302-591-3
    • SCHEMBL31279977
    • DTXSID501355942
    • NS00063733
    • Disodium 4-acetamido-5-hydroxy-6-(phenyldiazenyl)-1,7-naphthalenedisulfonate
    • 9005-53-2

  • Applications

    Lignin (CAS 9005-53-2) is a natural polyphenolic polymer derived from plant cell walls, used as a renewable binder and partial phenol substitute in phenol-formaldehyde resins for wood adhesives such as plywood and engineered wood; as a dispersant and additive in coatings, inks, and cementitious systems (lignin sulfonates); as a precursor for carbon materials such as activated carbon and carbon fibers for energy storage and electronic applications; as a UV stabilizer and antioxidant additive for polymers and coatings; and as a filler or modifier for polymer blends and bio-based plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.46
    methanol 6.58
    isopropanol 1.64
    water 0.01
    ethyl acetate 3.41
    n-propanol 2.57
    acetone 16.49
    n-butanol 1.32
    acetonitrile 4.86
    DMF 83.12
    toluene 0.31
    isobutanol 0.96
    1,4-dioxane 10.63
    methyl acetate 6.95
    THF 29.11
    2-butanone 14.51
    n-pentanol 0.67
    sec-butanol 1.72
    n-hexane 0.01
    ethylene glycol 1.92
    NMP 66.81
    cyclohexane 0.03
    DMSO 64.12
    n-butyl acetate 2.43
    n-octanol 0.5
    chloroform 1.39
    n-propyl acetate 2.77
    acetic acid 9.92
    dichloromethane 2.31
    cyclohexanone 14.65
    propylene glycol 2.57
    isopropyl acetate 1.55
    DMAc 76.79
    2-ethoxyethanol 8.26
    isopentanol 0.61
    n-heptane 0.01
    ethyl formate 4.85
    1,2-dichloroethane 1.94
    n-hexanol 0.43
    2-methoxyethanol 26.79
    isobutyl acetate 0.65
    tetrachloromethane 0.06
    n-pentyl acetate 1.69
    transcutol 11.82
    n-heptanol 0.51
    ethylbenzene 0.11
    MIBK 1.22
    2-propoxyethanol 8.79
    tert-butanol 0.85
    MTBE 0.54
    2-butoxyethanol 4.47
    propionic acid 5.23
    o-xylene 0.18
    formic acid 8.93
    diethyl ether 1.32
    m-xylene 0.11
    p-xylene 0.17
    chlorobenzene 0.41
    dimethyl carbonate 5.01
    n-octane 0.01
    formamide 19.99
    cyclopentanone 30.94
    2-pentanone 5.02
    anisole 1.11
    cyclopentyl methyl ether 1.63
    gamma-butyrolactone 29.56
    1-methoxy-2-propanol 12.61
    pyridine 10.72
    3-pentanone 3.78
    furfural 20.37
    n-dodecane 0.01
    diethylene glycol 7.64
    diisopropyl ether 0.09
    tert-amyl alcohol 0.95
    acetylacetone 8.66
    n-hexadecane 0.01
    acetophenone 2.48
    methyl propionate 6.2
    isopentyl acetate 1.24
    trichloroethylene 4.28
    n-nonanol 0.57
    cyclohexanol 0.96
    benzyl alcohol 1.61
    2-ethylhexanol 0.26
    isooctanol 0.29
    dipropyl ether 0.77
    1,2-dichlorobenzene 0.33
    ethyl lactate 2.74
    propylene carbonate 6.42
    n-methylformamide 25.92
    2-pentanol 0.48
    n-pentane 0.01
    1-propoxy-2-propanol 4.89
    1-methoxy-2-propyl acetate 4.31
    2-(2-methoxypropoxy) propanol 5.52
    mesitylene 0.05
    ε-caprolactone 10.44
    p-cymene 0.12
    epichlorohydrin 17.49
    1,1,1-trichloroethane 0.43
    2-aminoethanol 3.35
    morpholine-4-carbaldehyde 46.51
    sulfolane 45.23
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 5.53
    n-hexyl acetate 1.63
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 6.46
    sec-butyl acetate 0.91
    tert-butyl acetate 1.25
    decalin 0.01
    glycerin 7.04
    diglyme 13.64
    acrylic acid 6.87
    isopropyl myristate 0.67
    n-butyric acid 4.02
    acetyl acetate 2.14
    di(2-ethylhexyl) phthalate 1.19
    ethyl propionate 2.26
    nitromethane 30.31
    1,2-diethoxyethane 2.78
    benzonitrile 1.81
    trioctyl phosphate 0.76
    1-bromopropane 0.51
    gamma-valerolactone 56.99
    n-decanol 0.41
    triethyl phosphate 1.0
    4-methyl-2-pentanol 0.16
    propionitrile 3.21
    vinylene carbonate 6.17
    1,1,2-trichlorotrifluoroethane 14.98
    DMS 2.76
    cumene 0.06
    2-octanol 0.31
    2-hexanone 3.28
    octyl acetate 1.18
    limonene 0.17
    1,2-dimethoxyethane 16.85
    ethyl orthosilicate 0.73
    tributyl phosphate 0.87
    diacetone alcohol 4.11
    N,N-dimethylaniline 0.66
    acrylonitrile 7.11
    aniline 1.37
    1,3-propanediol 4.89
    bromobenzene 0.23
    dibromomethane 0.86
    1,1,2,2-tetrachloroethane 2.8
    2-methyl-cyclohexyl acetate 1.27
    tetrabutyl urea 2.24
    diisobutyl methanol 0.13
    2-phenylethanol 1.41
    styrene 0.17
    dioctyl adipate 1.81
    dimethyl sulfate 10.26
    ethyl butyrate 2.12
    methyl lactate 7.82
    butyl lactate 2.48
    diethyl carbonate 1.39
    propanediol butyl ether 3.31
    triethyl orthoformate 1.47
    p-tert-butyltoluene 0.1
    methyl 4-tert-butylbenzoate 2.59
    morpholine 16.2
    tert-butylamine 0.22
    n-dodecanol 0.29
    dimethoxymethane 19.97
    ethylene carbonate 4.47
    cyrene 8.12
    2-ethoxyethyl acetate 3.98
    2-ethylhexyl acetate 0.92
    1,2,4-trichlorobenzene 0.74
    4-methylpyridine 4.86
    dibutyl ether 0.58
    2,6-dimethyl-4-heptanol 0.13
    DEF 9.6
    dimethyl isosorbide 9.07
    tetrachloroethylene 1.3
    eugenol 3.61
    triacetin 3.12
    span 80 3.52
    1,4-butanediol 1.13
    1,1-dichloroethane 0.87
    2-methyl-1-pentanol 0.4
    methyl formate 17.37
    2-methyl-1-butanol 0.78
    n-decane 0.02
    butyronitrile 2.09
    3,7-dimethyl-1-octanol 0.29
    1-chlorooctane 0.14
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.25
    tetrahydropyran 4.49
    tert-amyl methyl ether 0.57
    2,5,8-trioxanonane 10.72
    1-hexene 0.07
    2-isopropoxyethanol 3.13
    2,2,2-trifluoroethanol 3.13
    methyl butyrate 3.93

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction